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Updated: Aug 9, 2026

Analyzing and Building Nucleic Acid Structures with 3DNA
Published on: April 26, 2013
Theoretical modeling of DNA-monocationic lexitropsin complexation: influence of ligand binding on DNA curvature
M Randrianarivelo1, K Zakrzewska, B Pullman
1Institut de Biologie Physico-Chimique, Paris, France.
Abstract:
A theoretical study is presented on the complexation to DNA of a monocationic lexitropsin. Energetics and the structures of the complexes formed are analyzed for three base pair sequences of a nucleic acid octamer. The influence of the ligand binding on the nucleic acid conformation is analysed in detail. It is found that whereas the uncomplexed nucleic acid segments have very irregular structures with an overall curvature varying between 15 degrees and 20 degrees, the DNA structure becomes more regular and the curvature is strongly reduced upon the binding of a monocationic lexitropsin.
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